5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine

C14H10BrN3OS — CID 6324102

IUPAC5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2cnc(N/N=C\c3ccco3)s2)cc1
InChIInChI=1S/C14H10BrN3OS/c15-11-5-3-10(4-6-11)13-9-16-14(20-13)18-17-8-12-2-1-7-19-12/h1-9H,(H,16,18)/b17-8-
InChIKeyARVXAZNCDWNIKK-IUXPMGMMSA-N
MW348.23 g/mol
LogP4.61
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine

5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6324102) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6324102
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC Name5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2cnc(N/N=C\c3ccco3)s2)cc1
InChIInChI=1S/C14H10BrN3OS/c15-11-5-3-10(4-6-11)13-9-16-14(20-13)18-17-8-12-2-1-7-19-12/h1-9H,(H,16,18)/b17-8-
InChIKeyARVXAZNCDWNIKK-IUXPMGMMSA-N
XLogP4.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(E)-[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 73350572
4-(4-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,3-thiazol-2-amine
CID 6864771
6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine
CID 3328519
4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 18552758
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3124056
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
CID 7256549
N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
CID 5151377
2-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one
CID 4318898
N-[(4-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
CID 2746853
N-[(E)-furan-2-ylmethylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337035

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6324102) is 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is Brc1ccc(-c2cnc(N/N=C\c3ccco3)s2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ARVXAZNCDWNIKK-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-11-5-3-10(4-6-11)13-9-16-14(20-13)18-17-8-12-2-1-7-19-12/h1-9H,(H,16,18)/b17-8-.
What are the key properties of 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine?
5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 348.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6324102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).